| SpectraBase Compound ID | JaktnVttqHI |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-19(10-9-14-26(2,3)33)20-11-17-30(8)25-21(12-16-29(20,30)7)28(6)15-13-24(32)27(4,5)23(28)18-22(25)31/h9,14,19-20,23-24,32-33H,10-13,15-18H2,1-8H3/b14-9+/t19-,20+,23+,24+,28-,29+,30-/m1/s1 |
| InChIKey | HGMDURCSONKDEI-DEYHTPJLSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1wS1wV3APXz |
|---|---|
| Name | (23E)-eupha-8,23-diene-3.beta.,25-diol-7-one |
| Appearance | Colorless gum |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-19(10-9-14-26(2,3)33)20-11-17-30(8)25-21(12-16-29(20,30)7)28(6)15-13-24(32)27(4,5)23(28)18-22(25)31/h9,14,19-20,23-24,32-33H,10-13,15-18H2,1-8H3/b14-9+/t19-,20+,23+,24+,28-,29+,30-/m1/s1 |
| InChIKey | HGMDURCSONKDEI-DEYHTPJLSA-N |
| Instrument Name | JEOL GCmate |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0205396 |
| Molecular Weight | 456.711 g/mol |
| Optical Rotation | [a]D23 = +14.3 (c = 0.21, MeOH) |
| Reported Formula | C30H42O3 |
| SMILES | O[C@]1(CC[C@@]2(C=3CC[C@]4([C@]([C@@](C\C=C\C(C)(C)O)(C)[H])(CC[C@@]4(C3C(C[C@]2(C1(C)C)[H])=O)C)[H])C)C)[H] |
| SPLASH | splash10-009i-0003900000-51070d3f712da61dd50a |
| Source of Spectrum | G4-66-633-3 |
| Synonyms | Kansenonol |
| Wiley ID | 1881399 |